[ethoxy-[3-(trifluoromethyl)phenyl]methylidene]azanium

C10H11F3NO+ — CID 134872266

IUPAC[ethoxy-[3-(trifluoromethyl)phenyl]methylidene]azanium
SMILESCCOC(=[NH2+])c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3NO/c1-2-15-9(14)7-4-3-5-8(6-7)10(11,12)13/h3-6,14H,2H2,1H3/p+1
InChIKeyMSPACYWIFXGSMT-UHFFFAOYSA-O
MW218.20 g/mol
LogP1.25
Rot. Bonds2

About [ethoxy-[3-(trifluoromethyl)phenyl]methylidene]azanium

[ethoxy-[3-(trifluoromethyl)phenyl]methylidene]azanium (PubChem CID 134872266) has the molecular formula C10H11F3NO+ and a molecular weight of 218.20 g/mol. Its IUPAC name is [ethoxy-[3-(trifluoromethyl)phenyl]methylidene]azanium.

Molecular Properties

Compound Name[ethoxy-[3-(trifluoromethyl)phenyl]methylidene]azanium
PubChem CID134872266
Molecular FormulaC10H11F3NO+
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Name[ethoxy-[3-(trifluoromethyl)phenyl]methylidene]azanium
SMILESCCOC(=[NH2+])c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3NO/c1-2-15-9(14)7-4-3-5-8(6-7)10(11,12)13/h3-6,14H,2H2,1H3/p+1
InChIKeyMSPACYWIFXGSMT-UHFFFAOYSA-O
XLogP1.25
TPSA34.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1)
CID 79249
Methyl benzimidate hydrochloride
CID 5743287
4,5-Dihydro-2-[3-(trifluoromethyl)phenyl]-oxazole
CID 67984069
Ethyl benzimidate
CID 79250
Benzenecarboximidic acid, 3-(trifluoromethyl)-, ethyl ester
CID 2730240
Methyl benzimidate
CID 345018
Ethyl 4-fluorobenzimidate
CID 182693
Trichloroacetimidic acid (S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl ester
CID 11611082
Ethyl 3-fluorobenzimidate
CID 12282164
2-Fluoro-benzimidic acid ethyl ester
CID 12282166
Ethyl 4-(trifluoromethyl)benzene-1-carboximidate
CID 15149971
Trifluoroacetimidic acid benzyl ester
CID 67176211

Frequently Asked Questions

What is the IUPAC name of [ethoxy-[3-(trifluoromethyl)phenyl]methylidene]azanium?
The IUPAC name of [ethoxy-[3-(trifluoromethyl)phenyl]methylidene]azanium (CID 134872266) is [ethoxy-[3-(trifluoromethyl)phenyl]methylidene]azanium.
What is the SMILES notation for [ethoxy-[3-(trifluoromethyl)phenyl]methylidene]azanium?
The canonical SMILES for [ethoxy-[3-(trifluoromethyl)phenyl]methylidene]azanium is CCOC(=[NH2+])c1cccc(C(F)(F)F)c1.
What is the InChIKey of [ethoxy-[3-(trifluoromethyl)phenyl]methylidene]azanium?
The InChIKey is MSPACYWIFXGSMT-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10F3NO/c1-2-15-9(14)7-4-3-5-8(6-7)10(11,12)13/h3-6,14H,2H2,1H3/p+1.
What are the key properties of [ethoxy-[3-(trifluoromethyl)phenyl]methylidene]azanium?
[ethoxy-[3-(trifluoromethyl)phenyl]methylidene]azanium has a molecular weight of 218.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy-[3-(trifluoromethyl)phenyl]methylidene]azanium is sourced from PubChem (CID 134872266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).